ATOM 25
1 C1y C 19.4373 -16.4056
2 O2x O 18.2910 -17.0667
3 S2a S 19.4199 -14.9726
4 C1y C 20.5839 -17.0724
5 C1y C 18.2910 -18.3945
6 C2c C 19.3616 -13.6507
7 C1y C 20.5779 -18.4003
8 O1a O 21.7245 -16.4173
9 C1y C 19.4316 -19.0614
10 C1b C 17.1387 -19.0788
11 N2b N 20.5022 -12.9781
12 C1b C 18.1039 -12.9313
13 O1a O 21.7187 -19.0731
14 O1a O 19.4199 -20.3833
15 O1a O 15.9862 -18.4237
16 O2a O 21.6428 -12.3053
17 C1b C 16.8463 -13.6449
18 S4a S 22.8828 -13.2354
19 C1b C 15.5886 -12.9253
20 O1d O 23.9650 -12.0246
21 O1d O 21.7832 -14.3877
22 O1d O 24.1814 -14.0542
23 S4a S 14.3195 -13.6390
24 C1a C 13.0618 -12.8961
25 O1d O 14.3369 -15.0954
BOND 25
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Down
8 5 9 1
9 5 10 1 #Up
10 6 11 2
11 6 12 1
12 7 13 1 #Up
13 9 14 1 #Down
14 10 15 1
15 11 16 1
16 12 17 1
17 16 18 1
18 17 19 1
19 18 20 2
20 18 21 2
21 18 22 1
22 19 23 1
23 23 24 1
24 23 25 2
25 7 9 1
|